SCHEMBL8904649

SCHEMBL8904649

N=C(N)c1ccc2oc(C(=O)Nc3ccc(OCC(=O)O)c(OCC(=O)O)c3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.53
ITGA2B P08514 8/20 0.53
F2 P00734 5/20 0.51
TPSAB1 Q15661 3/20 0.51
TPSD1 Q9BZJ3 3/20 0.51
TPSG1 Q9NRR2 3/20 0.51
RAB9A P51151 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
PLG P00747 3/20 0.44
PLAU P00749 3/20 0.44
PLAT P00750 3/20 0.44
KLKB1 P03952 3/20 0.44
PRSS1 P07477 3/20 0.44
ITGB1 P05556 1/20 0.44
ITGAV P06756 1/20 0.44
ITGB5 P18084 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8717795 0.88 F2 (0.57) ITGB3ITGA2BF2TPSAB1TPSD1
SCHEMBL8718459 0.82 ITGB3 (0.57) ITGB3ITGA2BF2TPSAB1TPSD1
SCHEMBL8905644 0.82 RAB9A (0.47) ITGB3ITGA2BF2RAB9AMEN1
SCHEMBL8712634 0.81 ITGB3 (0.48) ITGB3ITGA2BF2TPSAB1TPSD1
SCHEMBL8716123 0.79 ITGB3 (0.55) ITGB3ITGA2BF2TPSAB1TPSD1
SCHEMBL8904666 0.79 ITGB3 (0.62) ITGB3ITGA2BF2RAB9ATP53
SCHEMBL8713417 0.78 KMT2A (0.48) ITGB3ITGA2BF2TPSAB1TPSD1
SCHEMBL8770192 0.76 ITGB3 (0.51) ITGB3ITGA2BF2PLAUPRSS1
SCHEMBL8718100 0.75 TPSAB1 (0.66) ITGB3ITGA2BF2TPSAB1TPSD1
SCHEMBL8904811 0.75 ITGB3 (0.60) ITGB3ITGA2BF2TPSAB1TPSD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US claimed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP claimed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed